TDR Targets

Basic information

Technical information

TDR Targets ID: 783837
Name: 3-(3,4-dimethylphenyl)-8-(4-fluorophenyl)-6-o xo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thia diazine-9-carbonitrile
MW: 393.477 | Formula: C22H20FN3OS
H donors: 0 H acceptors: 2 LogP: 4.35 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1)F)c1ccc(c(c1)C)C
InChi: 1S/C22H20FN3OS/c1-14-3-8-18(9-15(14)2)25-12-26-21(27)10-19(16-4-6-17(23)7-5-16)20(11-24)22(26)28-13-25/h3-9,19H,10,12-13H2,1-2H3
InChiKey: VVCPGYRRJMXZMQ-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

3-(3,4-dimethylphenyl)-8-(4-fluorophenyl)-6-keto-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	carboxylesterase	0.0043	0.0149	0.0433
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0037	0.0047	0.0137
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.3936	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0037	0.0047	0.0047
Schistosoma mansoni	serine/threonine protein kinase	0.0152	0.182	0.182
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0037	0.0047	0.0047
Loa Loa (eye worm)	norepinephrine transporter	0.0217	0.2819	0.8204
Schistosoma mansoni	fatty acid binding protein	0.0036	0.0029	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0149	0.0433
Schistosoma mansoni	hypothetical protein	0.0168	0.2064	0.2064
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0149	0.0433
Onchocerca volvulus		0.0043	0.0149	0.0367
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0037	0.0047	0.0047
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0043	0.0149	0.0149
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0037	0.0047	0.0137
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0037	0.0047	0.0018
Loa Loa (eye worm)	lipocalin/cytosolic fatty-acid binding protein family protein	0.0036	0.0029	0.0085
Schistosoma mansoni	sodium/chloride dependent transporter	0.0217	0.2819	0.2819
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0257	0.3436	0.3436
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0118	0.0344
Echinococcus granulosus	neuroligin	0.0043	0.0149	0.012
Loa Loa (eye worm)	hypothetical protein	0.0257	0.3436	1
Echinococcus granulosus	protein kinase c iota type	0.0044	0.0157	0.0129
Echinococcus multilocularis	serotonin receptor	0.0137	0.1582	0.1557
Schistosoma mansoni	gliotactin	0.0043	0.0149	0.0149
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0037	0.0047	0.0047
Echinococcus multilocularis	carboxylesterase 5A	0.0257	0.3436	0.3417
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0043	0.0149	0.0149
Echinococcus granulosus	RNA directed DNA polymerase	0.0105	0.1093	0.1067
Brugia malayi	Carboxylesterase family protein	0.0257	0.3436	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.024	0.07
Toxoplasma gondii	hypothetical protein	0.0037	0.0047	0.5
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0217	0.2819	0.8204
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.3936	1
Schistosoma mansoni	BC026374 protein (S09 family)	0.0043	0.0149	0.0149
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0037	0.0047	0.0137
Echinococcus granulosus	geminin	0.0168	0.2064	0.204
Echinococcus multilocularis	serotonin receptor	0.0137	0.1582	0.1557
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0047	0.0208	0.0606
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0217	0.2819	0.2819
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0037	0.0047	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0257	0.3436	1
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0217	0.2819	0.8204
Brugia malayi	protein kinase C II.	0.0047	0.0208	0.0606
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0037	0.0047	0.0018
Echinococcus granulosus	protein kinase c epsilon type	0.0047	0.0208	0.018
Echinococcus multilocularis	protein kinase c epsilon type	0.0047	0.0208	0.018
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.3936	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0047	0.0137
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0047	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.3936	1
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0142	0.1657	0.5
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0151	0.1809	0.1785
Loa Loa (eye worm)	hypothetical protein	0.0049	0.024	0.07
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0037	0.0047	0.0137
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0037	0.0047	0.0018
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.029	0.3936	0.5
Echinococcus granulosus	serotonin transporter	0.0217	0.2819	0.2798
Schistosoma mansoni	fatty acid binding protein	0.0036	0.0029	0.0029
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0037	0.0047	0.0018
Onchocerca volvulus		0.0043	0.0149	0.0367
Echinococcus granulosus	protein kinase C gamma type	0.0133	0.1528	0.1504
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1081	0.3147
Echinococcus granulosus	sodium and chloride dependent glycine	0.0037	0.0047	0.0018
Echinococcus multilocularis	acetylcholinesterase	0.0257	0.3436	0.3417
Echinococcus granulosus	BC026374 protein S09 family	0.0043	0.0149	0.012
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0105	0.1093	0.1067
Echinococcus granulosus	para nitrobenzyl esterase	0.0043	0.0149	0.012
Echinococcus granulosus	biogenic amine 5HT receptor	0.0137	0.1582	0.1557
Brugia malayi	hypothetical protein	0.0037	0.0047	0.0137
Brugia malayi	Carboxylesterase family protein	0.0043	0.0149	0.0433
Toxoplasma gondii	hypothetical protein	0.0037	0.0047	0.5
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0142	0.1657	1
Schistosoma mansoni	hypothetical protein	0.0168	0.2064	0.2064
Plasmodium vivax	amine transporter, putative	0.0037	0.0047	0.5
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0515	0.1498
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0149	0.0433
Onchocerca volvulus		0.0043	0.0149	0.0367
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0037	0.0047	0.5
Loa Loa (eye worm)	serotonin transporter b	0.0217	0.2819	0.8204
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0043	0.0149	0.012
Treponema pallidum	fructose-bisphosphate aldolase	0.029	0.3936	1
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0037	0.0047	0.0018
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0142	0.1657	1
Loa Loa (eye worm)	carboxylesterase	0.0043	0.0149	0.0433
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0047	0.0137
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0037	0.0047	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0047	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0137	0.1582	0.4603
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0037	0.0047	0.0018
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.3936	1
Brugia malayi	Carboxylesterase family protein	0.0043	0.0149	0.0433
Echinococcus multilocularis	neuroligin	0.0043	0.0149	0.012
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0037	0.0047	0.5
Schistosoma mansoni	microtubule-associated protein tau	0.0684	1	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0037	0.0047	0.0137
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0037	0.0047	0.0047
Echinococcus multilocularis	serine threonine protein kinase	0.0133	0.1528	0.1504
Brugia malayi	Carboxylesterase family protein	0.0043	0.0149	0.0433
Echinococcus granulosus	acetylcholinesterase	0.0257	0.3436	0.3417
Echinococcus multilocularis	para nitrobenzyl esterase	0.0043	0.0149	0.012
Echinococcus multilocularis	serotonin transporter	0.0217	0.2819	0.2798
Giardia lamblia	Fructose-bisphosphate aldolase	0.029	0.3936	0.5
Loa Loa (eye worm)	acetylcholinesterase 1	0.0257	0.3436	1
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0037	0.0047	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0149	0.0433
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0037	0.0047	0.0047
Echinococcus multilocularis	RNA directed DNA polymerase	0.0105	0.1093	0.1067
Echinococcus multilocularis	geminin	0.0168	0.2064	0.204
Schistosoma mansoni	sodium/chloride dependent transporter	0.0037	0.0047	0.0047
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.3936	1
Onchocerca volvulus		0.0043	0.0149	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0217	0.2819	0.8204
Brugia malayi	Carboxylesterase family protein	0.0257	0.3436	1
Echinococcus granulosus	sodium and chloride dependent glycine	0.0037	0.0047	0.0018
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0137	0.1582	0.1582
Echinococcus granulosus	acetylcholinesterase	0.0257	0.3436	0.3417
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0037	0.0047	0.0047
Onchocerca volvulus		0.0043	0.0149	0.0367
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0037	0.0047	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0043	0.0149	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0047	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0149	0.0433
Brugia malayi	hypothetical protein	0.0043	0.0149	0.0433
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0108	0.1141	0.332
Echinococcus multilocularis	microtubule associated protein 2	0.0684	1	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.0037	0.0056	0.0056
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0043	0.0149	0.012
Echinococcus granulosus	carboxylesterase 5A	0.0257	0.3436	0.3417
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0149	0.0433
Echinococcus multilocularis	protein kinase c iota type	0.0044	0.0157	0.0129
Brugia malayi	Carboxylesterase family protein	0.0043	0.0149	0.0433
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0118	0.0344
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0037	0.0047	0.5
Plasmodium falciparum	amino acid transporter, putative	0.0037	0.0047	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0047	0.0137
Echinococcus multilocularis	acetylcholinesterase	0.0257	0.3436	0.3417
Brugia malayi	Protein kinase c protein 2	0.0126	0.1421	0.4136
Schistosoma mansoni	serine/threonine protein kinase	0.0047	0.0208	0.0208
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.3936	1
Loa Loa (eye worm)	carboxylesterase	0.0257	0.3436	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.024	0.07
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.024	0.07
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0043	0.0149	0.0149
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0043	0.0149	0.012
Loa Loa (eye worm)	hypothetical protein	0.0217	0.2819	0.8204
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0047	0.0137
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0037	0.0047	0.0137
Echinococcus granulosus	Protein kinase C brain isozyme	0.0151	0.1809	0.1785
Loa Loa (eye worm)	hypothetical protein	0.006	0.0398	0.116
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0149	0.0433
Loa Loa (eye worm)	hypothetical protein	0.0137	0.1582	0.4603
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.029	0.3936	0.5
Onchocerca volvulus		0.0041	0.0118	0.0256
Schistosoma mansoni	serine/threonine protein kinase	0.0151	0.1809	0.1809
Plasmodium falciparum	transporter, putative	0.0037	0.0047	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.3936	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0118	0.0344
Loa Loa (eye worm)	hypothetical protein	0.0217	0.2819	0.8204
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0037	0.0047	0.0047
Schistosoma mansoni	acetylcholinesterase	0.0043	0.0149	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0047	0.0137
Schistosoma mansoni	atypical protein kinase C	0.0044	0.0157	0.0157
Brugia malayi	Lipocalin / cytosolic fatty-acid binding protein family protein	0.0036	0.0029	0.0085
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0037	0.0047	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0122	0.1361	0.3962
Onchocerca volvulus		0.0217	0.2819	1

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 783837